SCHEMBL10077227

SCHEMBL10077227

Nc1nc(NC(=O)CCNC(=O)OCc2ccccc2)c2ncn(CC(=O)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ANPEP P15144 1/20 0.39
DOT1L Q8TEK3 1/20 0.39
YTHDC1 Q96MU7 1/20 0.38
CDK1 P06493 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10077226 0.91 HTT (0.41) HTTMEN1KMT2AL3MBTL1HDAC1
SCHEMBL434582 0.89 CDK1 (0.43) HDAC1HDAC2HDAC8YTHDC1CDK1
SCHEMBL434638 0.84 TLR7 (0.36) HTTMEN1KMT2AL3MBTL1DOT1L
SCHEMBL13074311 0.83 TLR7 (0.37) MEN1KMT2AL3MBTL1HDAC1HDAC2
SCHEMBL10076900 0.81 HTT (0.42) HTTMEN1KMT2AL3MBTL1HDAC1
SCHEMBL13074313 0.81 CCNE2 (0.36) MEN1KMT2AL3MBTL1HDAC1HDAC2
SCHEMBL10077229 0.81 TLR7 (0.37) MEN1KMT2AL3MBTL1HDAC1DOT1L
SCHEMBL10077231 0.79 TSHR (0.43) HTTHDAC1HDAC2SMN1; SMN2HDAC8
SCHEMBL7852208 0.78 HDAC1 (0.43) HDAC1HDAC2HDAC8HDAC6CDK1
SCHEMBL13074308 0.78 CDK1 (0.42) HDAC1HDAC2SMN1; SMN2HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE HTT 1883/4885MEN1 4592/4885KMT2A 2479/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 HTT 1629/4885MEN1 4509/4885KMT2A 2064/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.